CID 2814576

4240-97-5

Structural Information

Molecular Formula
C13H10N2O
SMILES
CC1=C(C(=O)NC(=C1)C2=CC=CC=C2)C#N
InChI
InChI=1S/C13H10N2O/c1-9-7-12(10-5-3-2-4-6-10)15-13(16)11(9)8-14/h2-7H,1H3,(H,15,16)
InChIKey
DIKYSAWZOUGXTO-UHFFFAOYSA-N
Compound name
4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

19
Patents

210.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 148.0
[M+Na]+ 233.06854 162.8
[M+NH4]+ 228.11314 152.9
[M+K]+ 249.04248 152.2
[M-H]- 209.07204 144.3
[M+Na-2H]- 231.05399 154.3
[M]+ 210.07877 148.4
[M]- 210.07987 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe